Chemical Properties of Benzoic acid, 3-(trifluoroacetyloxy)-

InChI

InChI=1S/C9H5F3O4/c10-9(11,12)8(15)16-6-3-1-2-5(4-6)7(13)14/h1-4H,(H,13,14)

InChI Key

NFPLYVXJTDHGFA-UHFFFAOYSA-N

Formula

C9H5F3O4

SMILES

O=C(O)c1cccc(OC(=O)C(F)(F)F)c1

Molecular Weight¹

234.13

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-953.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1110.72	kJ/mol	Joback Calculated Property
ΔfusH°	23.02	kJ/mol	Joback Calculated Property
ΔvapH°	67.40	kJ/mol	Joback Calculated Property
log10WS	-2.51		Crippen Calculated Property
logPoct/wat	1.853		Crippen Calculated Property
McVol	134.100	ml/mol	McGowan Calculated Property
Pc	3538.87	kPa	Joback Calculated Property
Inp	[1324.00; 1324.00]
Inp	1324.00		NIST
Inp	1324.00		NIST
Tboil	653.90	K	Joback Calculated Property
Tc	848.20	K	Joback Calculated Property
Tfus	417.23	K	Joback Calculated Property
Vc	0.523	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[341.43; 381.00]	J/mol×K	[653.90; 848.20]
Cp,gas	341.43	J/mol×K	653.90	Joback Calculated Property
Cp,gas	349.42	J/mol×K	686.28	Joback Calculated Property
Cp,gas	356.82	J/mol×K	718.67	Joback Calculated Property
Cp,gas	363.65	J/mol×K	751.05	Joback Calculated Property
Cp,gas	369.94	J/mol×K	783.43	Joback Calculated Property
Cp,gas	375.72	J/mol×K	815.82	Joback Calculated Property
Cp,gas	381.00	J/mol×K	848.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-(trifluoroacetyloxy)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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